Acta Crystallographica Section E

Structure Reports Online

Volume 57, Part 9 (September 2001)

metal-organic compounds

Acta Cryst. (2001). E57, m402-m403 [ doi:10.1107/S1600536801013265 ]

ansa-Calcocenes: trans-Ph₂(CH₃)₂C₂(⁵-C₅H₄)₂Ca(DME)

B. Twamley, G. J. Matare, P. J. Shapiro and A. Vij

Abstract: The title compound, (1,2-di- [eta] ⁵-cyclopentadienyl-1,2-dimethyl-trans-1,2-diphenylethane)(1,2-dimethoxyethane)calcium, trans-Ph₂(CH₃)₂C₂( [eta] ⁵-C₅H₄)₂Ca(DME) or [Ca(C₂₆H₂₄)(C₄H₁₀O₂)], was synthesized by reductively coupling 6,6-methylphenylfulvene with activated calcium in the presence of dimethoxyethane (DME). The trans isomer was isolated by fractional crystallization. The Ca atom is four-coordinate and is [eta] ⁵-bonded to both cyclopentadienyl rings [Ca-Cp(centroid) distance = 2.381 (3) Å] and the O atoms of the coordinated solvent chelate ligand [Ca-O = 2.350 (2) and 2.404 (2) Å].